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(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol

Catalog No: FT-0772794

CAS No: 1152-39-2

Chemical Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
Molecular Formula: C13H18O5S
Molecular Weight: 286.35
InChI Key: IQCLIQLFPVKINX-LBELIVKGSA-N
InChI: InChI=1S/C13H18O5S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)18-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13+/m1/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	513.2ºC at 760 mmHg
CAS:	1152-39-2
MF:	C13H18O5S
Density:	1.43 g/cm3
Melting_Point:	N/A
Product_Name:	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
Flash_Point:	264.2ºC
FW:	286.34400

MF:	C13H18O5S
Density:	1.43 g/cm3
Computational_Chemistry:	['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 115 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :282 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :5 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	286.08700
Bolling_Point:	513.2ºC at 760 mmHg
Flash_Point:	264.2ºC
PSA:	115.45000
FW:	286.34400